L-Valine, N-[N-[1-oxo-3,6-bis[(1-oxodecyl)amino]hexyl]glycyl]-, methyl ester

SpectraBase Compound ID	31x7CrV9SpL
InChI	InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)35-24-20-21-28(37-30(40)23-19-17-15-13-11-9-7-2)25-31(41)36-26-32(42)38-33(27(3)4)34(43)44-5/h27-28,33H,6-26H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)
InChIKey	HBORELUWSKTWHU-UHFFFAOYSA-N Google Search
Mol Weight	624.9 g/mol
Molecular Formula	C34H64N4O6
Exact Mass	624.482586 g/mol

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SpectraBase Spectrum ID	JotFjSoR4Hy
Name	L-Valine, N-[N-[1-oxo-3,6-bis[(1-oxodecyl)amino]hexyl]glycyl]-, methyl ester
CAS Registry Number	34020-23-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H64N4O6
InChI	InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)35-24-20-21-28(37-30(40)23-19-17-15-13-11-9-7-2)25-31(41)36-26-32(42)38-33(27(3)4)34(43)44-5/h27-28,33H,6-26H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)
InChIKey	HBORELUWSKTWHU-UHFFFAOYSA-N
Molecular Weight	624.908 g/mol
SMILES	N(C(C(C)C)C(OC)=O)C(CNC(CC(CCCNC(CCCCCCCCC)=O)NC(CCCCCCCCC)=O)=O)=O
SPLASH	splash10-05fu-9510100000-a854fd75368b43a8c290
Source of Spectrum	O-6-2-1
Synonyms	Methyl 2-[(([3,6-bis(decanoylamino)hexanoyl]amino)acetyl)amino]-3-methylbutanoate 2-[[2-[3,6-bis(caprylamino)hexanoylamino]acetyl]amino]-3-methyl-butyric acid methyl ester 3-Methyl-2-[[1-oxo-2-[[1-oxo-3,6-bis(1-oxodecylamino)hexyl]amino]ethyl]amino]butanoic acid methyl ester Methyl 2-[2-[3,6-bis(decanoylamino)hexanoylamino]ethanoylamino]-3-methyl-butanoate Methyl 2-[[2-[3,6-bis(decanoylamino)hexanoylamino]acetyl]amino]-3-methyl-butanoate Valine, N-[N-[L-3,6-bis(decanamido)hexanoyl]glycyl]-, methyl ester
Wiley ID	1411772